SCHEMBL6503884

SCHEMBL6503884

CCCCc1nc2cnc3ccccc3c2n1CCNC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TLR7 Q9NYK1 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6494409 0.88 TLR7 (0.54) HTTGAATP53LMNATLR7
SCHEMBL1952080 0.85 GAA (0.52) SMN1; SMN2MAPTHTTGAATP53
SCHEMBL6502549 0.84 MAPT (0.55) L3MBTL1SMN1; SMN2MAPTHTTRECQL
SCHEMBL4551314 0.84 TLR7 (0.54) SMN1; SMN2HTTGAATP53LMNA
SCHEMBL24723244 0.83 TLR7 (0.54) SMN1; SMN2HTTGAATP53LMNA
SCHEMBL3352560 0.82 MAPT (0.51) L3MBTL1SMN1; SMN2MAPTHTTRECQL
SCHEMBL12888420 0.82 TLR7 (0.48) TLR7
SCHEMBL6106242 0.81 TLR7 (0.56) TLR7
SCHEMBL5352979 0.81 EPHX1 (0.48) SMN1; SMN2HTTALDH1A1GAATP53
SCHEMBL4165503 0.81 TLR7 (0.49) SMN1; SMN2HTTGAATP53LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916925-B1 Dye labeled imidazoquinoline compounds 3M INNOVATIVE PROPERTIES CO. (US) 2005-07-12 US disclosed
EP-1228147-B1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2004-02-04 EP disclosed
US-6630588-B2 Imidazonaphthyridine, imidazopyridine and imidazoquinoline compounds that have immune response modulating activity and that contain a dye moiety, in particular, a fluorescent dye moiety, e.g., dipyrrometheneboron difluoride dyes 3M INNOVATIVE PROPERTIES COMPANY 2003-10-07 US disclosed
US-20020120141-A1 Dye labeled imidazoquinoline compounds 3M INNOVATIVE PROPERTIES COMPANY 2002-08-29 US disclosed
EP-1228147-A1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M Innovative Properties Company (US) 2002-08-07 EP disclosed
US-6376669-B1 COMPLEXES 3M INNOVATIVE PROPERTIES COMPANY 2002-04-23 US disclosed
WO-2001034709-A1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020120141-A1 Dye labeled imidazoquinoline compounds LY96, CD74, IFNAR1 L3MBTL1 2840/4885SMN1; SMN2 4799/4885MAPT 4523/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.